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Information card for entry 4123263
Preview
| Coordinates | 4123263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24.75 H18.5 Cl1.5 O |
|---|---|
| Calculated formula | C24.75 H18.5 Cl1.5 O |
| Title of publication | Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators. |
| Authors of publication | Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 3 |
| Pages of publication | 1165 - 1180 |
| a | 9.4418 ± 0.0011 Å |
| b | 14.1745 ± 0.0017 Å |
| c | 15.4015 ± 0.0018 Å |
| α | 73.98 ± 0.002° |
| β | 78.801 ± 0.002° |
| γ | 80.315 ± 0.002° |
| Cell volume | 1929 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1199 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123263.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4123263.cif |
| 130652 | 2015-02-04 | cif/ Updating files of 4123261, 4123262, 4123263, 4123264 Original log message: Adding full bibliography for 4123261--4123264.cif. |
4123263.cif |
| 129842 | 2015-01-17 | cif/ Adding structures of 4123263 via cif-deposit CGI script. |
4123263.cif |
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